4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide

C13H17N3O3S — CID 82907696

IUPAC4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide
SMILESCC(Cc1ccco1)Nc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C13H17N3O3S/c1-9(7-10-3-2-6-19-10)16-13-8-11(20(15,17)18)4-5-12(13)14/h2-6,8-9,16H,7,14H2,1H3,(H2,15,17,18)
InChIKeyZIONQYSHMVUKKI-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.55
Rot. Bonds5

About 4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide

4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide (PubChem CID 82907696) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide
PubChem CID82907696
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide
SMILESCC(Cc1ccco1)Nc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C13H17N3O3S/c1-9(7-10-3-2-6-19-10)16-13-8-11(20(15,17)18)4-5-12(13)14/h2-6,8-9,16H,7,14H2,1H3,(H2,15,17,18)
InChIKeyZIONQYSHMVUKKI-UHFFFAOYSA-N
XLogP1.55
TPSA111.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[1-(furan-2-yl)propan-2-ylamino]-4-methylbenzenesulfonamide
CID 63085133
3-bromo-4-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide
CID 63085665
4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzamide
CID 63356356
4-amino-3-(4-methylpentan-2-ylamino)benzenesulfonamide
CID 82907687
3-N-[(2R)-1-(furan-2-yl)propan-2-yl]benzene-1,3-disulfonamide
CID 97020376
4-amino-3-(1-ethoxypropan-2-ylamino)benzenesulfonamide
CID 82908006
4-bromo-5-fluoro-2-N-[1-(furan-2-yl)propan-2-yl]benzene-1,2-diamine
CID 116735654
4-amino-3-(1-cyclopropylpropan-2-ylamino)benzenesulfonamide
CID 82899019
4-amino-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide
CID 82898873
5-amino-2-[1-(furan-2-yl)propan-2-ylamino]-N-methylbenzenesulfonamide
CID 103286859
N-[2-[1-(furan-2-yl)propan-2-ylamino]phenyl]methanesulfonamide
CID 63085132
4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747446

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide?
The IUPAC name of 4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide (CID 82907696) is 4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide?
The canonical SMILES for 4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide is CC(Cc1ccco1)Nc1cc(S(N)(=O)=O)ccc1N.
What is the InChIKey of 4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide?
The InChIKey is ZIONQYSHMVUKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-9(7-10-3-2-6-19-10)16-13-8-11(20(15,17)18)4-5-12(13)14/h2-6,8-9,16H,7,14H2,1H3,(H2,15,17,18).
What are the key properties of 4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide?
4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide is sourced from PubChem (CID 82907696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).